Pentanitroaniline

Base Information

• Chemical Name: Pentanitroaniline
• CAS No.: 21985-87-5
• Molecular Formula: C6H2 N6 O10
• Molecular Weight: 318.116
• Hs Code.: 2921420090
• UNII: BW38Y827XU
• DSSTox Substance ID: DTXSID10894078
• Nikkaji Number: J60.437B
• Wikipedia: Pentanitroaniline
• Wikidata: Q6138838
• Mol file: 21985-87-5.mol

Synonyms:Pentanitroaniline;2,3,4,5,6-pentanitroaniline;21985-87-5;BW38Y827XU;Pentanitroaniline (dry);UNII-BW38Y827XU;Pentanitroaniline (dry) [Forbidden];2,3,4,5,6-Pentanitrobenzenamine;SCHEMBL7861184;DTXSID10894078;XJYDCCKHUXCATF-UHFFFAOYSA-N;Benzenamine, 2,3,4,5,6-pentanitro-;ANILINE, 2,3,4,5,6-PENTANITRO-;Q6138838

Chemical Property of Pentanitroaniline

Chemical Property:

• Vapor Pressure: 8.34E-18mmHg at 25°C
• Refractive Index: 1.7500 (estimate)
• Boiling Point: 669.8°C at 760 mmHg
• Flash Point: 358.9°C
• PSA: 255.12000
• Density: 2.107g/cm³
• LogP: 4.00700
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 317.98324028
• Heavy Atom Count: 22
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N

Technology Process of Pentanitroaniline

There total 10 articles about Pentanitroaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 62.4%

→ 2,3,4,5,6-pentanitroaniline 1,2-dichloroethane (21985-87-5)

Guidance literature:

Reference yield: 52.0%

3, 5-dinitroaniline (618-87-1) → 2,3,4,5,6-pentanitroaniline 1,2-dichloroethane (21985-87-5)

Guidance literature:

With sulfuric acid; nitric acid; at 70 - 75 ℃; for 1h;

DOI:10.1021/jo00177a023

Reference yield: 47.0%

4-Amino-2,6-dinitrotoluene (19406-51-0,153919-64-3) → 2,3,4,5,6-pentanitroaniline 1,2-dichloroethane (21985-87-5)

Guidance literature:

With sulfuric acid; nitric acid; at 80 ℃; for 2.5h;

DOI:10.1021/jo00367a003

upstream raw materials:

N-(3,5-dinitrophenyl)-acetamide

3, 5-dinitroaniline

4-Amino-2,6-dinitrotoluene

4-Amino-2,3,5,6-tetranitrotoluene

Downstream raw materials:

3,5-dimethoxy-2,4,6-trinitroaniline

trinitrophloroglucinol

5-amino-2,4,6-trinitro-1,3-dihydroxy-benzene

2,4,6-triamino-1,3,5-trinitrobenzene

Refernces

• 1、 -. "Synthesis of aminonitrobenzodifuroxan". . . Retrieved 2008/06/13.
• 2、 Atkins, Ronald L.,Hollins, Richard A.,Wilson, William S.. "Synthesis of Polynitro Compounds. Hexasubstituted Benzenes". . p. 3261 - 3266. Retrieved 2007/10/02.